7-[3-(dimethylamino)prop-1-enyl]-3-phenylthieno[3,2-c]pyridin-4-amine

C18H19N3S — CID 141322409

IUPAC7-[3-(dimethylamino)prop-1-enyl]-3-phenylthieno[3,2-c]pyridin-4-amine
SMILESCN(C)CC=Cc1cnc(N)c2c(-c3ccccc3)csc12
InChIInChI=1S/C18H19N3S/c1-21(2)10-6-9-14-11-20-18(19)16-15(12-22-17(14)16)13-7-4-3-5-8-13/h3-9,11-12H,10H2,1-2H3,(H2,19,20)
InChIKeyQKDZWBAJCVIUME-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.12
Rot. Bonds4

About 7-[3-(dimethylamino)prop-1-enyl]-3-phenylthieno[3,2-c]pyridin-4-amine

7-[3-(dimethylamino)prop-1-enyl]-3-phenylthieno[3,2-c]pyridin-4-amine (PubChem CID 141322409) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is 7-[3-(dimethylamino)prop-1-enyl]-3-phenylthieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name7-[3-(dimethylamino)prop-1-enyl]-3-phenylthieno[3,2-c]pyridin-4-amine
PubChem CID141322409
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC Name7-[3-(dimethylamino)prop-1-enyl]-3-phenylthieno[3,2-c]pyridin-4-amine
SMILESCN(C)CC=Cc1cnc(N)c2c(-c3ccccc3)csc12
InChIInChI=1S/C18H19N3S/c1-21(2)10-6-9-14-11-20-18(19)16-15(12-22-17(14)16)13-7-4-3-5-8-13/h3-9,11-12H,10H2,1-2H3,(H2,19,20)
InChIKeyQKDZWBAJCVIUME-UHFFFAOYSA-N
XLogP4.12
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[3-(diethylamino)prop-1-enyl]-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
CID 68678857
(E)-3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide
CID 18450643
3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylpropanamide
CID 18450711
(E)-3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal
CID 18450607
3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal
CID 73446371
2-[1-[3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enyl]piperidin-4-yl]ethanol
CID 68678654
7-[(E)-3-(diethylamino)prop-1-enyl]-3-[3-(1H-indol-4-yl)-2-methoxyphenyl]thieno[3,2-c]pyridin-4-amine
CID 150764877
(E)-3-[4-amino-3-(3-methoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enenitrile
CID 141110438
N-[4-[4-amino-7-[3-(diethylamino)prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 68678250
7-(3-methylsulfonylphenyl)-3-phenylthieno[3,2-c]pyridin-4-amine
CID 141322450
3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]-N-[(3S)-pyrrolidin-3-yl]prop-2-enamide
CID 68680347
ethyl (E)-3-[4-amino-3-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[3,2-c]pyridin-7-yl]prop-2-enoate
CID 45139882

Frequently Asked Questions

What is the IUPAC name of 7-[3-(dimethylamino)prop-1-enyl]-3-phenylthieno[3,2-c]pyridin-4-amine?
The IUPAC name of 7-[3-(dimethylamino)prop-1-enyl]-3-phenylthieno[3,2-c]pyridin-4-amine (CID 141322409) is 7-[3-(dimethylamino)prop-1-enyl]-3-phenylthieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 7-[3-(dimethylamino)prop-1-enyl]-3-phenylthieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 7-[3-(dimethylamino)prop-1-enyl]-3-phenylthieno[3,2-c]pyridin-4-amine is CN(C)CC=Cc1cnc(N)c2c(-c3ccccc3)csc12.
What is the InChIKey of 7-[3-(dimethylamino)prop-1-enyl]-3-phenylthieno[3,2-c]pyridin-4-amine?
The InChIKey is QKDZWBAJCVIUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-21(2)10-6-9-14-11-20-18(19)16-15(12-22-17(14)16)13-7-4-3-5-8-13/h3-9,11-12H,10H2,1-2H3,(H2,19,20).
What are the key properties of 7-[3-(dimethylamino)prop-1-enyl]-3-phenylthieno[3,2-c]pyridin-4-amine?
7-[3-(dimethylamino)prop-1-enyl]-3-phenylthieno[3,2-c]pyridin-4-amine has a molecular weight of 309.44 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(dimethylamino)prop-1-enyl]-3-phenylthieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 141322409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).